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R8K

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O29C05doub1.21Å1.20Å
O30S02doub1.42Å1.42Å
F28C06sing1.40Å1.34Å
C25C26sing1.54Å1.54Å
C25C24sing1.53Å1.55Å
C26C27sing1.54Å1.53Å
C05C06sing1.51Å1.51Å
C05N04sing1.35Å1.40Å
C27C24sing1.53Å1.53Å
C06C24sing1.53Å1.53Å
C06C07sing1.55Å1.58Å
C24C23sing1.54Å1.53Å
S02C01sing1.81Å1.69Å
S02N04sing1.66Å1.61Å
S02O03doub1.42Å1.41Å
C07N08sing1.49Å1.42Å
C23N08sing1.49Å1.50Å
N08C09sing1.38Å1.40Å
C16C15doub1.38Å1.38ÅAromatic
C16C11sing1.39Å1.40ÅAromatic
C15C14sing1.39Å1.40ÅAromatic
C09N22doub1.33Å1.35ÅAromatic
C09C10sing1.40Å1.46ÅAromatic
N22C21sing1.32Å1.35ÅAromatic
C11C10sing1.47Å1.49ÅAromatic
C11C12doub1.40Å1.43ÅAromatic
C10C19doub1.40Å1.43ÅAromatic
C14F17sing1.35Å1.34Å
C14C13doub1.38Å1.39ÅAromatic
C21N20doub1.32Å1.33ÅAromatic
C12C13sing1.39Å1.38ÅAromatic
C12N18sing1.38Å1.40ÅAromatic
C19N20sing1.33Å1.34ÅAromatic
C19N18sing1.37Å1.37ÅAromatic
C16H161sing1.08Å1.08Å
C15H151sing1.08Å1.08Å
C13H131sing1.08Å1.08Å
C01H013sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C01H011sing1.09Å1.10Å
C07H071sing1.09Å1.10Å
C07H072sing1.09Å1.10Å
C21H211sing1.08Å1.08Å
C23H232sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C25H251sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C26H261sing1.09Å1.10Å
C26H262sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C27H271sing1.09Å1.10Å
N04H041sing0.97Å1.00Å
N18H181sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O29C05C06120.3°120.0°
O29C05N04120.6°120.0°
O30S02C01106.8°110.6°
O30S02N04107.9°104.3°
O30S02O03118.3°121.1°
F28C06C05109.5°110.3°
F28C06C24115.6°110.4°
F28C06C07111.4°110.5°
C26C25C2488.7°86.8°
C25C26C2789.6°87.3°
C26C25H251114.4°113.6°
C26C25H252114.4°113.7°
C25C26H261114.2°113.6°
C25C26H262114.2°113.6°
C25C24C2789.3°88.1°
C25C24C06128.1°115.7°
C25C24C23107.4°115.6°
C24C25H251114.4°113.7°
C24C25H252114.4°113.7°
C26C27C2489.6°86.8°
C27C26H261114.2°113.6°
C27C26H262114.2°113.6°
C26C27H272114.2°113.7°
C26C27H271114.2°113.7°
C06C05N04119.1°120.0°
C05C06C24109.0°110.4°
C05C06C07111.1°110.4°
C05N04S02124.4°120.0°
C05N04H041117.8°120.0°
C27C24C06111.8°115.7°
C27C24C23117.4°115.5°
C24C27H272114.2°113.6°
C24C27H271114.2°113.7°
C24C06C07100.0°104.7°
C06C24C23103.5°106.0°
C06C07N08110.4°104.6°
C06C07H071109.2°110.4°
C06C07H072109.2°110.4°
C24C23N08106.7°104.3°
C24C23H232110.2°110.5°
C24C23H231110.2°110.6°
C01S02N04104.9°104.4°
C01S02O03110.0°110.5°
S02C01H013109.5°109.5°
S02C01H012109.4°109.5°
S02C01H011109.4°109.4°
N04S02O03108.2°104.2°
S02N04H041117.8°120.0°
C07N08C23106.7°104.4°
C07N08C09130.0°111.0°
N08C07H071109.3°110.4°
N08C07H072109.3°110.4°
C23N08C09121.9°111.0°
N08C23H232110.2°110.5°
N08C23H231110.2°110.4°
N08C09N22120.1°120.8°
N08C09C10120.7°120.8°
C15C16C11121.7°119.8°
C16C15C14119.7°120.2°
C15C16H161119.2°120.1°
C16C15H151120.1°119.8°
C16C11C10137.4°133.7°
C16C11C12115.7°120.0°
C11C16H161119.1°120.1°
C15C14F17118.2°119.7°
C15C14C13121.9°120.5°
C14C15H151120.1°119.9°
N22C09C10119.1°118.5°
C09N22C21119.4°120.9°
C09C10C11142.3°134.6°
C09C10C19113.6°118.8°
N22C21N20127.5°122.6°
N22C21H211116.3°118.7°
C10C11C12106.9°106.2°
C11C10C19104.0°106.6°
C11C12C13124.1°119.3°
C11C12N18108.6°108.3°
C10C19N20126.7°118.4°
C10C19N18111.6°108.4°
F17C14C13119.9°119.8°
C14C13C12116.8°120.1°
C14C13H131121.6°120.0°
C21N20C19113.7°120.9°
N20C21H211116.3°118.7°
C13C12N18127.3°132.4°
C12C13H131121.6°119.9°
C12N18C19108.9°110.5°
C12N18H181125.6°124.8°
N20C19N18121.7°133.2°
C19N18H181125.5°124.8°
H013C01H012109.5°109.5°
H013C01H011109.5°109.5°
H012C01H011109.5°109.5°
H071C07H072109.5°110.5°
H232C23H231109.4°110.4°
H251C25H252109.5°112.9°
H261C26H262109.4°112.9°
H272C27H271109.5°113.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O29C05C06F2819.1°153.6°
O29C05C06N04178.9°180.0°
O29C05C06C24108.2°84.1°
O29C05C06C07142.6°31.2°
O29C05N04S020.9°0.0°
O29C05N04H041179.1°180.0°
O30S02N04C0537.1°178.9°
O30S02C01N04114.4°111.6°
O30S02C01O03129.5°136.8°
O30S02N04O03129.0°127.9°
O30S02C01H013180.0°68.4°
O30S02C01H01260.0°171.6°
O30S02C01H01160.0°51.6°
O30S02N04H041142.9°1.0°
F28C06C24C2581.0°111.8°
F28C06C05C24127.3°122.3°
F28C06C05C07123.5°122.4°
F28C06C05N04159.8°26.4°
F28C06C24C2726.3°10.8°
F28C06C24C07119.6°119.0°
F28C06C24C23153.6°118.7°
F28C06C07N08147.8°95.2°
F28C06C07H07127.7°23.6°
F28C06C07H07292.0°146.1°
C26C25C24H251116.3°114.4°
C26C25C24H252116.3°114.5°
C25C26C27H261116.5°114.6°
C25C26C27H262116.5°114.6°
C26C25C24C2712.6°24.9°
C26C25C24C06130.1°142.6°
C26C25C24C23106.1°92.7°
C26C25H251H252129.9°131.4°
C25C26H261H262129.4°131.2°
C25C26C27H272129.2°89.7°
C25C26C27H271103.8°139.2°
C25C24C06C0542.8°10.5°
C25C24C27C06131.3°117.7°
C25C24C27C23109.3°117.5°
C25C24C06C23125.4°129.5°
C25C24C06C07159.4°129.2°
C25C24C23N08171.2°152.8°
C25C24C23H23251.6°34.1°
C25C24C23H23169.2°88.5°
C24C25H251H252129.8°131.4°
C24C25C26H261104.0°89.9°
C24C25C26H262129.0°139.3°
C25C24C27H272129.1°89.6°
C25C24C27H271103.9°139.4°
C26C27C24H272116.5°114.5°
C26C27C24H271116.5°114.5°
C26C27C24C06143.9°142.6°
C26C27C24C2396.7°92.7°
C27C26C25H251103.8°139.1°
C27C26C25H252128.8°89.8°
C27C26H261H262129.5°131.2°
C26C27H272H271129.4°131.4°
C05C06C24C27150.1°111.4°
C05C06C24C07116.6°118.8°
C05C06C24C2382.6°119.1°
C06C05N04S02178.0°180.0°
C05C06C07N0889.8°142.5°
C05C06C07H071150.0°98.7°
C05C06C07H07230.3°23.8°
C06C05N04H0412.0°0.1°
N04C05C06C2472.9°95.9°
N04C05C06C0736.3°148.8°
C05N04S02C0176.5°65.0°
C05N04S02H041180.0°179.9°
C05N04S02O03166.1°51.0°
C27C24C06C23127.3°129.5°
C27C24C06C0793.3°129.8°
C27C24C23N0890.2°106.4°
C27C24C23H232150.2°134.9°
C27C24C23H23129.4°12.4°
C27C24C25H251103.7°139.3°
C27C24C25H252128.9°89.6°
C24C27C26H261103.8°89.9°
C24C27C26H262129.2°139.3°
C24C27H272H271129.5°131.4°
C24C06C07N0825.2°23.7°
C06C24C23N0833.4°23.2°
C24C06C07H07194.9°142.5°
C24C06C07H072145.4°95.0°
C06C24C23H23286.1°95.5°
C06C24C23H231153.0°141.9°
C06C24C25H25113.8°103.0°
C06C24C25H252113.5°28.1°
C06C24C27H27299.6°28.1°
C06C24C27H27127.4°102.9°
C07C06C24C2334.0°0.3°
C06C07N08H071120.1°118.7°
C06C07N08H072120.1°118.8°
C06C07N08C235.2°38.9°
C06C07N08C09161.1°158.6°
C06C07H071H072119.6°122.4°
C24C23N08C0717.5°38.6°
C24C23N08H232119.6°118.7°
C24C23N08H231119.6°118.8°
C24C23N08C09174.9°158.3°
C24C23H232H231121.3°122.6°
C23C24C25H251137.6°21.8°
C23C24C25H25210.3°152.8°
C23C24C27H27219.7°152.8°
C23C24C27H271146.8°21.8°
C01S02N04O03117.4°116.0°
S02C01H013H012120.0°120.0°
S02C01H013H011120.0°120.0°
S02C01H012H011119.9°120.0°
C01S02N04H041103.5°115.1°
N04S02C01H01365.6°180.0°
N04S02C01H01254.4°60.0°
N04S02C01H011174.3°60.0°
O03S02C01H01350.5°68.4°
O03S02C01H012170.5°51.6°
O03S02C01H01169.5°171.6°
O03S02N04H04113.9°128.9°
C07N08C23C09167.7°119.6°
C07N08C09N22169.0°57.9°
C07N08C09C1010.2°122.2°
N08C07H071H072119.6°122.4°
C07N08C23H232102.1°80.1°
C07N08C23H231137.0°157.4°
C23N08C09N224.4°57.8°
C23N08C09C10174.8°122.2°
C23N08C07H071114.9°157.7°
C23N08C07H072125.4°79.8°
N08C23H232H231121.3°122.5°
N08C09N22C10179.2°179.9°
N08C09N22C21179.8°180.0°
N08C09C10C111.9°0.1°
N08C09C10C19179.5°180.0°
C09N08C07H07178.8°82.7°
C09N08C07H07240.9°39.8°
C09N08C23H23265.6°39.5°
C09N08C23H23155.3°82.9°
C15C16C11H161180.0°179.6°
C16C15C14H151180.0°180.0°
C15C16C11C10178.7°180.0°
C15C16C11C120.6°0.0°
C16C15C14F17179.7°179.9°
C16C15C14C130.1°0.1°
C11C16C15C140.2°0.1°
C16C11C10C092.2°0.1°
C16C11C10C12179.3°180.0°
C16C11C10C19180.0°180.0°
C16C11C12C130.8°0.0°
C16C11C12N18179.8°180.0°
C11C16C15H151179.8°180.0°
C15C14F17C13179.5°180.0°
C15C14C13C120.0°0.0°
C14C15C16H161179.9°179.7°
C15C14C13H131180.0°180.0°
N22C09C10C11178.9°180.0°
N22C09C10C191.2°0.1°
C09N22C21N200.8°0.0°
C09N22C21H211179.2°180.0°
C10C09N22C211.0°0.0°
C09C10C11C19177.8°179.9°
C09C10C11C12178.4°179.9°
C09C10C19N201.5°0.1°
C09C10C19N18179.3°179.9°
N22C21N20H211180.0°180.0°
N22C21N20C191.0°0.0°
C10C11C12C13178.7°180.0°
C10C11C12N180.4°0.0°
C11C10C19N20180.0°180.0°
C11C10C19N180.8°0.0°
C10C11C16H1611.3°0.3°
C12C11C10C190.7°0.0°
C11C12C13C140.5°0.0°
C11C12C13N18178.9°180.0°
C11C12N18C190.1°0.0°
C12C11C16H161179.4°179.7°
C11C12C13H131179.5°179.9°
C11C12N18H181179.9°179.9°
C10C19N20C211.4°0.1°
C10C19N18C120.6°0.0°
C10C19N20N18179.1°180.0°
C10C19N18H181179.4°179.9°
F17C14C13C12179.5°180.0°
F17C14C15H1510.4°0.0°
F17C14C13H1310.5°0.0°
C14C13C12H131180.0°179.9°
C14C13C12N18179.4°180.0°
C13C14C15H151179.9°180.0°
C21N20C19N18179.6°180.0°
C13C12N18C19179.2°180.0°
C13C12N18H1810.8°0.1°
C12N18C19N20179.8°180.0°
C12N18C19H181180.0°179.9°
N18C12C13H1310.6°0.1°
C19N20C21H211179.0°180.0°
N20C19N18H1810.2°0.1°
H161C16C15H1510.2°0.3°
H013C01H012H011120.1°120.0°
H251C25C26H261139.7°24.6°
H251C25C26H26212.7°106.3°
H252C25C26H26112.3°155.6°
H252C25C26H262114.7°24.8°
H261C26C27H27212.7°155.7°
H261C26C27H271139.7°24.6°
H262C26C27H272114.3°24.9°
H262C26C27H27112.7°106.3°

246704

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